S-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate

C10H13NOS2 — CID 142686743

IUPACS-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate
SMILESCCSC(=O)N1CCc2ccsc2C1
InChIInChI=1S/C10H13NOS2/c1-2-13-10(12)11-5-3-8-4-6-14-9(8)7-11/h4,6H,2-3,5,7H2,1H3
InChIKeyWBBRDQFPALLOGD-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.98
Rot. Bonds1

About S-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate

S-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate (PubChem CID 142686743) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is S-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate.

Molecular Properties

Compound NameS-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate
PubChem CID142686743
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC NameS-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate
SMILESCCSC(=O)N1CCc2ccsc2C1
InChIInChI=1S/C10H13NOS2/c1-2-13-10(12)11-5-3-8-4-6-14-9(8)7-11/h4,6H,2-3,5,7H2,1H3
InChIKeyWBBRDQFPALLOGD-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392531
4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxamide
CID 16784441
tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl chloride
CID 79887429
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethylbutan-1-one
CID 40118713
1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392527
1-Methyl-4-[(3-methylthiophen-2-yl)methyl]piperazine
CID 763355
2-chloro-1-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one
CID 16227666
5-Acetyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 21472069
5-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 45117639
2-amino-1-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one
CID 16770323
1-(4-((6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)methyl)piperidin-1-yl)ethanone hydrochloride
CID 91623579

Frequently Asked Questions

What is the IUPAC name of S-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate?
The IUPAC name of S-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate (CID 142686743) is S-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate.
What is the SMILES notation for S-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate?
The canonical SMILES for S-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate is CCSC(=O)N1CCc2ccsc2C1.
What is the InChIKey of S-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate?
The InChIKey is WBBRDQFPALLOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-2-13-10(12)11-5-3-8-4-6-14-9(8)7-11/h4,6H,2-3,5,7H2,1H3.
What are the key properties of S-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate?
S-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate has a molecular weight of 227.35 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbothioate is sourced from PubChem (CID 142686743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).